6-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[(3R)-3-(trifluoromethyl)-1-piperidin-1-iumyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]methyl]sesamol Formula: C14H17F3NO3+ MolecularWeight: 304.28489

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=CC3=C(C=C2O)OCO3)C(F)(F)F

Isomeric SMILES

C1C[C@H](C[NH+](C1)CC2=CC3=C(C=C2O)OCO3)C(F)(F)F

InChI

InChI=1S/C14H16F3NO3/c15-14(16,17)10-2-1-3-18(7-10)6-9-4-12-13(5-11(9)19)21-8-20-12/h4-5,10,19H,1-3,6-8H2/p+1/t10-/m1/s1